Cas no 501697-55-8 (3-(4-Chlorophenoxy)PhenylSulfonyl Chloride)
3-(4-Chlorophenoxy)PhenylSulfonyl Chloride Chemical and Physical Properties
Names and Identifiers
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- 3-(4-Chlorophenoxy)benzenesulfonyl chloride
- AC1MXQIG
- AC1Q3JSH
- MolPort-001-760-103
- 3PBS-Q02-0
- AR1610
- OR12560
- KB-27013
- KB-85733
- [3-(4-CHLOROPHENOXY)PHENYL]SULPHONYL CHLORIDE
- 4-Chloro-3'-(chlorosulphonyl)diphenyl ether
- AKOS027254608
- DTXSID70396861
- A914185
- [3-(4-CHLOROPHENOXY)PHENYL]SULFONYL CHLORIDE
- MFCD02089485
- CS-0156871
- SCHEMBL4833629
- AS-45169
- 3-(4-Chlorophenoxy)benzene-1-sulfonylchloride
- 3-(4-Chlorophenoxy)benzene-1-sulfonyl chloride
- 501697-55-8
- 3-(4-Chlorophenoxy)benzenesulphonyl chloride
- 3-(4-Chlorophenoxy)PhenylSulfonyl Chloride
-
- MDL: MFCD02089485
- Inchi: 1S/C12H8Cl2O3S/c13-9-4-6-10(7-5-9)17-11-2-1-3-12(8-11)18(14,15)16/h1-8H
- InChI Key: YLAIBEFXDCITAC-UHFFFAOYSA-N
- SMILES: ClS(C1C=CC=C(C=1)OC1C=CC(=CC=1)Cl)(=O)=O
Computed Properties
- Exact Mass: 301.95724
- Monoisotopic Mass: 301.9571207g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 358
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- Color/Form: White to Yellow Solid
- PSA: 43.37
3-(4-Chlorophenoxy)PhenylSulfonyl Chloride Security Information
- Signal Word:Danger
- Hazard Statement: H302;H314
- Warning Statement: P280;P305+P351+P338;P310
- Storage Condition:2-8 °C
3-(4-Chlorophenoxy)PhenylSulfonyl Chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| AstaTech | AR1610-0.25/G |
[3-(4-CHLOROPHENOXY)PHENYL]SULFONYL CHLORIDE |
501697-55-8 | 95% | 0.25g |
$313 | 2023-09-16 | |
| AstaTech | AR1610-1/G |
[3-(4-CHLOROPHENOXY)PHENYL]SULFONYL CHLORIDE |
501697-55-8 | 95% | 1g |
$705 | 2023-09-16 | |
| TRC | C996258-5mg |
[3-(4-Chlorophenoxy)Phenyl]Sulfonyl Chloride |
501697-55-8 | 5mg |
$ 50.00 | 2022-06-02 | ||
| TRC | C996258-10mg |
[3-(4-Chlorophenoxy)Phenyl]Sulfonyl Chloride |
501697-55-8 | 10mg |
$ 65.00 | 2022-06-02 | ||
| TRC | C996258-50mg |
[3-(4-Chlorophenoxy)Phenyl]Sulfonyl Chloride |
501697-55-8 | 50mg |
$ 210.00 | 2022-06-02 | ||
| Ambeed | A117878-100mg |
3-(4-Chlorophenoxy)benzene-1-sulfonyl chloride |
501697-55-8 | 95% | 100mg |
$190.0 | 2025-04-19 | |
| Ambeed | A117878-250mg |
3-(4-Chlorophenoxy)benzene-1-sulfonyl chloride |
501697-55-8 | 95% | 250mg |
$342.0 | 2025-04-19 | |
| Ambeed | A117878-1g |
3-(4-Chlorophenoxy)benzene-1-sulfonyl chloride |
501697-55-8 | 95% | 1g |
$713.0 | 2025-04-19 | |
| abcr | AB234674-100 mg |
[3-(4-Chlorophenoxy)phenyl]sulphonyl chloride; . |
501697-55-8 | 100 mg |
€253.60 | 2023-07-20 | ||
| abcr | AB234674-250 mg |
[3-(4-Chlorophenoxy)phenyl]sulphonyl chloride; . |
501697-55-8 | 250 mg |
€502.80 | 2023-07-20 |
3-(4-Chlorophenoxy)PhenylSulfonyl Chloride Suppliers
3-(4-Chlorophenoxy)PhenylSulfonyl Chloride Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
Additional information on 3-(4-Chlorophenoxy)PhenylSulfonyl Chloride
Introduction to 3-(4-Chlorophenoxy)PhenylSulfonyl Chloride (CAS No. 501697-55-8) and Its Applications in Modern Chemical Biology
3-(4-Chlorophenoxy)PhenylSulfonyl Chloride, identified by the chemical identifier CAS No. 501697-55-8, is a specialized organic compound that has garnered significant attention in the field of chemical biology due to its versatile structural properties and potential applications in pharmaceutical research. This compound belongs to the class of sulfonyl chlorides, which are widely recognized for their role as key intermediates in the synthesis of various biologically active molecules. The presence of both a chlorophenoxy group and a sulfonyl chloride moiety makes this compound a valuable tool for medicinal chemists seeking to develop novel therapeutic agents.
The sulfonyl chloride functional group is particularly noteworthy for its reactivity, enabling the formation of sulfonamides, which are prevalent in many drugs targeting bacterial infections, inflammation, and even cancer. The 4-Chlorophenoxy substituent introduces a degree of electronic and steric modulation, which can be exploited to fine-tune the pharmacokinetic and pharmacodynamic properties of derived compounds. This balance between reactivity and structural flexibility makes 3-(4-Chlorophenoxy)PhenylSulfonyl Chloride an attractive candidate for further exploration in drug discovery pipelines.
In recent years, there has been a surge in research focused on developing small-molecule inhibitors that modulate protein-protein interactions (PPIs). Sulfonyl chlorides have emerged as pivotal reagents in this endeavor due to their ability to react with amine groups, forming stable sulfonamide bonds. A notable area of interest is the inhibition of kinases, which are enzymes implicated in numerous signaling pathways associated with diseases such as cancer. The structural framework of 3-(4-Chlorophenoxy)PhenylSulfonyl Chloride suggests potential utility in designing kinase inhibitors by serving as a precursor for molecules that can selectively bind to target kinases.
Recent advancements in computational chemistry have facilitated the rapid screening of sulfonyl chloride derivatives for their inhibitory activity against specific kinases. Studies have demonstrated that modifications around the phenyl ring and the chlorophenoxy group can significantly impact binding affinity and selectivity. For instance, computational modeling has predicted that 3-(4-Chlorophenoxy)PhenylSulfonyl Chloride derivatives may exhibit high binding affinity for certain tyrosine kinases, making them promising candidates for further experimental validation. These insights are derived from large-scale databases of kinase structures and virtual screening techniques, which have become indispensable tools in modern drug discovery.
Beyond kinase inhibition, 3-(4-Chlorophenoxy)PhenylSulfonyl Chloride has shown potential in the development of antimicrobial agents. The sulfonyl chloride moiety can be readily converted into sulfonamides, which are known for their broad-spectrum antibacterial activity. Moreover, the chlorophenoxy group may contribute to enhanced membrane penetration, improving the efficacy of antimicrobial compounds derived from this scaffold. Current research is exploring how structural variations influenced by this compound can lead to novel antibiotics capable of overcoming emerging drug-resistant strains.
The synthesis of 3-(4-Chlorophenoxy)PhenylSulfonyl Chloride itself is a testament to the progress in synthetic organic chemistry. Modern methodologies allow for efficient preparation of this intermediate through multi-step reactions that leverage palladium-catalyzed cross-coupling and nucleophilic substitution reactions. These advances not only improve yield but also enhance atom economy, aligning with green chemistry principles. The ability to produce this compound reliably and scalable is crucial for its widespread adoption in pharmaceutical applications.
In conclusion, 3-(4-Chlorophenoxy)PhenylSulfonyl Chloride (CAS No. 501697-55-8) represents a significant asset in the chemical biologist's toolkit. Its unique structural features enable diverse applications, from kinase inhibition to antimicrobial development, while its synthetic accessibility ensures it remains a practical choice for researchers. As our understanding of biological targets continues to expand and computational tools become more sophisticated, compounds like this will undoubtedly play an increasingly pivotal role in shaping the future of drug discovery.
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